3'-(Trifluoromethyl)acetophenone

Base Information Edit

Chemical Name:3'-(Trifluoromethyl)acetophenone
CAS No.:349-76-8
Molecular Formula:C9H7F3O
Molecular Weight:188.149
Hs Code.:29147090
European Community (EC) Number:206-490-4
NSC Number:81888,59177
UNII:EQ30608V1H
DSSTox Substance ID:DTXSID3059844
Nikkaji Number:J193.811H
Wikidata:Q27277291
Mol file:349-76-8.mol

Synonyms:3'-(Trifluoromethyl)acetophenone;349-76-8;1-(3-(trifluoromethyl)phenyl)ethanone;1-[3-(Trifluoromethyl)phenyl]ethanone;3-(trifluoromethyl)acetophenone;Ethanone, 1-[3-(trifluoromethyl)phenyl]-;3-Trifluoromethylacetophenone;3'-trifluoromethylacetophenone;3-Acetylbenzotrifluoride;m-(trifluoromethyl)acetophenone;m-Trifluoromethylacetophenone;1-[3-(trifluoromethyl)phenyl]ethan-1-one;MFCD00000391;1-(3-trifluoromethyl-phenyl)-ethanone;Ethanone, 1-(3-(trifluoromethyl)phenyl)-;UNII-EQ30608V1H;EQ30608V1H;EINECS 206-490-4;NSC-59177;NSC-81888;EC 206-490-4;1-[5-(Trifluoromethyl)phenyl]ethanone;1-(5-(TRIFLUOROMETHYL)PHENYL)ETHANONE;NSC81888;3-Trifludromethylacetophenone;SCHEMBL39834;3'-trifluoromethyl-acetophenone;3-CF3-C6H4-COCH3;DTXSID3059844;3-(trifluoromethyl) acetophenone;3`-(Trifluoromethyl)acetophenone;3'-(trifluoromethy)-acetophenone;3'-(trifluoromethyl) acetophenone;3'-(trifluoromethyl)-acetophenone;BCP26880;MFCD0000391;NSC59177;NSC 59177;NSC 81888;AKOS000119540;AC-3629;CS-W019972;PS-8443;3'-(Trifluoromethyl)acetophenone, 99%;3-TRIFLUOROMETHYL-1-ACETYLBENZENE;1-[3-(Trifluoromethyl)phenyl]ethanone #;SY002281;1-[3-(Trifluoromethyl)phenyl]-1-ethanone;M-TRIFLUOROMETHYLPHENYL METHYL KETONE;A6140;ACETOPHENONE, 3'-(TRIFLUOROMETHYL)-;AM20040249;FT-0613916;T1546;EN300-20406;A20054;A20062;Q27277291;Z104478062;3 inverted exclamation mark -(Trifluoromethyl)acetophenone

Suppliers and Price of 3'-(Trifluoromethyl)acetophenone

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3''-?(Trifluoromethyl)?acetophenone
500mg
$ 45.00

TCI Chemical
3'-(Trifluoromethyl)acetophenone >97.0%(GC)
25g
$ 62.00

TCI Chemical
3'-(Trifluoromethyl)acetophenone >97.0%(GC)
5g
$ 17.00

SynQuest Laboratories
3'-(Trifluoromethyl)acetophenone 97%
100 g
$ 96.00

SynQuest Laboratories
3'-(Trifluoromethyl)acetophenone 97%
25 g
$ 32.00

Sigma-Aldrich
3′-(Trifluoromethyl)acetophenone 99%
25g
$ 57.40

Sigma-Aldrich
3′-(Trifluoromethyl)acetophenone 99%
5g
$ 53.40

Oakwood
3'-(Trifluoromethyl)acetophenone 99%
100g
$ 80.00

Oakwood
3'-(Trifluoromethyl)acetophenone 99%
25g
$ 40.00

Oakwood
3'-(Trifluoromethyl)acetophenone 99%
5g
$ 20.00

Total 150 raw suppliers

Chemical Property of 3'-(Trifluoromethyl)acetophenone Edit

Chemical Property:

Appearance/Colour:clear colourless to very slightly yellow liquid
Vapor Pressure:35Pa at 25℃
Refractive Index:n20/D 1.4611(lit.)
Boiling Point:199 °C at 760 mmHg
Flash Point:83.9 °C
PSA：17.07000
Density:1.218 g/cm³
LogP:2.90800
Storage Temp.:Store below +30°C.
Water Solubility.:620mg/L at 25℃
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:188.04489933
Heavy Atom Count:13
Complexity:198

Purity/Quality:

99% ^*data from raw suppliers

3''-?(Trifluoromethyl)?acetophenone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(=O)C1=CC(=CC=C1)C(F)(F)F
Uses 3''-?(Trifluoromethyl)?acetophenone is a reagent used in the stabilization of endosomal-toll-like receptor TRL8 creating a sort of inhibitory activity.

Technology Process of 3'-(Trifluoromethyl)acetophenone

There total 64 articles about 3'-(Trifluoromethyl)acetophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 454-91-1
1-(3-trifluoromethylphenyl)ethanol

: 349-76-8
3'-(trifluoromethyl)acetophenone

Guidance literature:: With oxygen; acetic acid; [Pd{N,N'-di(2,6-di-iPrC₆H₃)dihydroimidazol-2-yl}(OAc)2(H₂O)]; In toluene; at 60 ℃; for 12h;
DOI:10.1002/anie.200351997

Reference yield: 94.0%

: 401-81-0
m-trifluoromethylphenyl iodide

: 108-24-7
acetic anhydride

: 349-76-8
3'-(trifluoromethyl)acetophenone

Guidance literature:: With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; N-ethyl-N,N-diisopropylamine; lithium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 5h;
DOI:10.1021/ol027243b